SCHEMBL5180646

SCHEMBL5180646

Cc1ccc(NC(=O)N/N=C/c2ccccn2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
LMNA P02545 5/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 3/20 0.54
ALDH1A1 P00352 1/20 0.52
CTH P32929 1/20 0.50
CYP1A2 P05177 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5180651 1.00 RAB9A (0.59) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL5180481 0.86 TOP2A (0.61) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL5180478 0.86 TOP2A (0.61) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL5180573 0.83 MAPT (0.60) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL5182145 0.83 MAPT (0.60) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL5180943 0.81 POLB (0.52) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL5180947 0.81 POLB (0.52) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL14517019 0.79 RAB9A (0.71) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL14543134 0.79 L3MBTL1 (0.59) RAB9ALMNANPC1SMN1; SMN2HTT
SCHEMBL17452409 0.78 POLB (0.51) RAB9ANPC1MEN1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399159-A4 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-02-14 EP claimed
US-6794400-B2 USE AS ANTICANCER AGENTS AND IN OTHER CONDITIONS INVOLVING ABNORMAL CELL PROLIFERATION SUCH AS RHEUMATOID ARTHRITIS CYTOVIA, INC. 2004-09-21 US claimed
EP-1399159-A1 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-24 EP claimed
US-20030045581-A1 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2003-03-06 US claimed
WO-2002098420-A1 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-12 WO claimed
EP-1399159-A4 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-02-14 EP disclosed
US-6794400-B2 USE AS ANTICANCER AGENTS AND IN OTHER CONDITIONS INVOLVING ABNORMAL CELL PROLIFERATION SUCH AS RHEUMATOID ARTHRITIS CYTOVIA, INC. 2004-09-21 US disclosed
EP-1399159-A1 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-24 EP disclosed
US-20030045581-A1 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof DISCOVER GROWTH FUND, LLC (VI) 2003-03-06 US disclosed
WO-2002098420-A1 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030045581-A1 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP4 RAB9A 1394/4885LMNA 3707/4885NPC1 3435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.